1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol

C10H21NOS — CID 65105842

IUPAC1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol
SMILESCSCCCNCC1(O)CCCC1
InChIInChI=1S/C10H21NOS/c1-13-8-4-7-11-9-10(12)5-2-3-6-10/h11-12H,2-9H2,1H3
InChIKeyMJIILYNJEYKDFI-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds6

About 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol

1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol (PubChem CID 65105842) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol
PubChem CID65105842
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol
SMILESCSCCCNCC1(O)CCCC1
InChIInChI=1S/C10H21NOS/c1-13-8-4-7-11-9-10(12)5-2-3-6-10/h11-12H,2-9H2,1H3
InChIKeyMJIILYNJEYKDFI-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol (CID 65105842) is 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol is CSCCCNCC1(O)CCCC1.
What is the InChIKey of 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol?
The InChIKey is MJIILYNJEYKDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-13-8-4-7-11-9-10(12)5-2-3-6-10/h11-12H,2-9H2,1H3.
What are the key properties of 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol?
1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfanylpropylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).